4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid

C23H24N2O5 — CID 14708733

IUPAC4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)OC3CCCC3)cc21
InChIInChI=1S/C23H24N2O5/c1-29-21-12-16(22(26)27)6-7-17(21)14-25-11-10-15-8-9-18(13-20(15)25)24-23(28)30-19-4-2-3-5-19/h6-13,19H,2-5,14H2,1H3,(H,24,28)(H,26,27)
InChIKeyXJCLVUFSVBCYLV-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.89
Rot. Bonds6

About 4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid

4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid (PubChem CID 14708733) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid
PubChem CID14708733
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)OC3CCCC3)cc21
InChIInChI=1S/C23H24N2O5/c1-29-21-12-16(22(26)27)6-7-17(21)14-25-11-10-15-8-9-18(13-20(15)25)24-23(28)30-19-4-2-3-5-19/h6-13,19H,2-5,14H2,1H3,(H,24,28)(H,26,27)
InChIKeyXJCLVUFSVBCYLV-UHFFFAOYSA-N
XLogP4.89
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl N-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate
CID 14753014
N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-1-ethyl-4-(2-oxopyrrolidin-1-YL)-1H-indole-6-carboxamide
CID 44526776
4-[5-(2-Cyclopentyl-acetylamino)-1-methyl-1H-indol-3-ylmethyl]-3-methoxy-benzoic acid
CID 14626842
N-(4-[6-(2-cyclopentylacetamido)indol-1-ylmethyl]-3-methoxybenzoyl)benzenesulphonamide
CID 14753021
4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
CID 14753022
cyclopentyl N-[3-acetyl-1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indol-6-yl]carbamate
CID 15013740
cyclopentyl N-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-3-chloroindol-6-yl]carbamate
CID 15013719
Methyl 3-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-6-[(2-cyclopentylacetyl)amino]indol-3-yl]propanoate
CID 15013736
3-[1-[[4-(Benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-6-[(2-cyclopentylacetyl)amino]indol-3-yl]propanoic acid
CID 15013737
3-methoxy-N-pyrrolo[1,2-a]quinolin-6-ylbenzenecarboxamide
CID 3561774
4-[[5-(Cyclopentylmethylcarbamoyl)-1-methylindol-3-yl]methyl]-3-methoxybenzoic acid
CID 10364832
4-((5-(((Cyclopentyloxy)carbonyl)amino)-1-methyl-1H-indol-3-yl)methyl)-3-methoxybenzoic acid
CID 11293119

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid?
The IUPAC name of 4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid (CID 14708733) is 4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid?
The canonical SMILES for 4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)OC3CCCC3)cc21.
What is the InChIKey of 4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid?
The InChIKey is XJCLVUFSVBCYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-29-21-12-16(22(26)27)6-7-17(21)14-25-11-10-15-8-9-18(13-20(15)25)24-23(28)30-19-4-2-3-5-19/h6-13,19H,2-5,14H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid?
4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid has a molecular weight of 408.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(cyclopentyloxycarbonylamino)indol-1-yl]methyl]-3-methoxybenzoic acid is sourced from PubChem (CID 14708733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).